Structure of PDB 1try Chain A Binding Site BS01

Receptor Information
>1try Chain A (length=224) Species: 5507 (Fusarium oxysporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVGGTSASAGDFPFIVSISRNGGPWCGGSLLNANTVLTAAHCVSGYAQSG
FQIRAGSLSRTSGGITSSLSSVRVHPSYSGNNNDLAILKLSTSIPSGGNI
GYARLAASGSDPVAGSSATVAGWGATSEGGSSTPVNLLKVTVPIVSRATC
RAQYGTSAITNQMFCAGVSSGGKDSCQGDSGGPIVDSSNTLIGAVSWGNG
CARPNYSGVYASVGALRSFIDTYA
Ligand information
Ligand IDISP
InChIInChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKeyQPPQHRDVPBTVEV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(O)O
CACTVS 3.341CC(C)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OC(C)C
FormulaC3 H9 O4 P
NamePHOSPHORYLISOPROPANE
ChEMBLCHEMBL144888
DrugBankDB03976
ZINCZINC000001673625
PDB chain1try Chain A Residue 243 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1try Structure of inhibited trypsin from Fusarium oxysporum at 1.55 A.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H57 C191 Q192 G193 S195
Binding residue
(residue number reindexed from 1)		H41 C176 Q177 G178 S180
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H41 D84 Q177 G178 D179 S180 G181
Enzyme Commision number 3.4.21.4: trypsin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1try, PDBe:1try, PDBj:1try
PDBsum1try
PubMed15299338
UniProtP35049|TRYP_FUSOX Trypsin

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